SCHEMBL7798352

SCHEMBL7798352

COc1cncnc1N1CCN(CCCn2ccc3c(-n4cnnc4)cccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
DRD2 P14416 4/20 0.41
DRD3 P35462 2/20 0.41
HTR7 P34969 2/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR6 P50406 2/20 0.38
SLC2A1 P11166 2/20 0.38
SLC2A3 P11169 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 1/20 0.38
SLC2A2 P11168 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8031569 0.99 HTR1A (0.42) HTR1ADRD2DRD3HTR7ADRA1D
SCHEMBL7803871 0.81 ABCB1 (0.38) HTR1ADRD2DRD3HTR2ASLC2A1
SCHEMBL7798306 0.81 DRD2 (0.37) HTR1ADRD2DRD3HTR7HTR2A
Hydrochloric Acid SCHEMBL8035161 0.81 ABCB1 (0.38) HTR1ADRD2DRD3HTR7HTR2A
Hydrochloric Acid SCHEMBL8035086 0.81 DRD2 (0.36) HTR1ADRD2DRD3HTR7SLC2A1
SCHEMBL7804894 0.80 HTR1A (0.41) HTR1ADRD2DRD3HTR7ADRA1D
Hydrochloric Acid SCHEMBL8031614 0.79 HTR1A (0.41) HTR1ADRD2DRD3HTR7ADRA1D
SCHEMBL7804108 0.77 HTR7 (0.36) HTR1ADRD2DRD3HTR7MEN1
SCHEMBL7807051 0.77 MAPT (0.36) HTR1ADRD2DRD3SLC2A1SLC2A3
Hydrochloric Acid SCHEMBL8030756 0.76 MAPT (0.36) HTR1ADRD2HTR7HTR2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed